Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTetanus toxin
LigandBDBM50073675
Substrate/Competitorn/a
Meas. Tech.ChEMBL_210251 (CHEMBL809278)
Ki 9600±n/a nM
Citation Martin, LCornille, FTurcaud, SMeudal, HRoques, BPFournié-Zaluski, MC Metallopeptidase inhibitors of tetanus toxin: A combinatorial approach. J Med Chem42:515-25 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tetanus toxin
Name:Tetanus toxin
Synonyms:TETX_CLOTE | Tentoxylysin | Tetanus toxin chain H | Tetanus toxin chain L | Tetanus toxin heavy chain | Tetanus toxin light chain | tetX
Type:PROTEIN
Mol. Mass.:150674.51
Organism:Clostridium tetani
Description:ChEMBL_210251
Residue:1315
Sequence:
MPITINNFRYSDPVNNDTIIMMEPPYCKGLDIYYKAFKITDRIWIVPERYEFGTKPEDFN
PPSSLIEGASEYYDPNYLRTDSDKDRFLQTMVKLFNRIKNNVAGEALLDKIINAIPYLGN
SYSLLDKFDTNSNSVSFNLLEQDPSGATTKSAMLTNLIIFGPGPVLNKNEVRGIVLRVDN
KNYFPCRDGFGSIMQMAFCPEYVPTFDNVIENITSLTIGKSKYFQDPALLLMHELIHVLH
GLYGMQVSSHEIIPSKQEIYMQHTYPISAEELFTFGGQDANLISIDIKNDLYEKTLNDYK
AIANKLSQVTSCNDPNIDIDSYKQIYQQKYQFDKDSNGQYIVNEDKFQILYNSIMYGFTE
IELGKKFNIKTRLSYFSMNHDPVKIPNLLDDTIYNDTEGFNIESKDLKSEYKGQNMRVNT
NAFRNVDGSGLVSKLIGLCKKIIPPTNIRENLYNRTASLTDLGGELCIKIKNEDLTFIAE
KNSFSEEPFQDEIVSYNTKNKPLNFNYSLDKIIVDYNLQSKITLPNDRTTPVTKGIPYAP
EYKSNAASTIEIHNIDDNTIYQYLYAQKSPTTLQRITMTNSVDDALINSTKIYSYFPSVI
SKVNQGAQGILFLQWVRDIIDDFTNESSQKTTIDKISDVSTIVPYIGPALNIVKQGYEGN
FIGALETTGVVLLLEYIPEITLPVIAALSIAESSTQKEKIIKTIDNFLEKRYEKWIEVYK
LVKAKWLGTVNTQFQKRSYQMYRSLEYQVDAIKKIIDYEYKIYSGPDKEQIADEINNLKN
KLEEKANKAMININIFMRESSRSFLVNQMINEAKKQLLEFDTQSKNILMQYIKANSKFIG
ITELKKLESKINKVFSTPIPFSYSKNLDCWVDNEEDIDVILKKSTILNLDINNDIISDIS
GFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEYNDMFNNFTVSFWLRVPK
VSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLP
DKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNN
NQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDV
QLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYV
SYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDD
KNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50073675
n/a
NameBDBM50073675
Synonyms:(1S,2S)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-mercapto-1-(3-sulfamoyl-phenyl)-ethyl-ammonium
TypeSmall organic molecule
Emp. Form.C31H36N7O6S2
Mol. Mass.666.79
SMILESNS(=O)(=O)c1cccc(c1)[C@H]([NH3+])[C@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: